1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol

C10H17N3O2 — CID 163682990

IUPAC1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol
SMILESCC(C)C1=NC(N2CCC(O)CC2)=[N+]1[O-]
InChIInChI=1S/C10H17N3O2/c1-7(2)9-11-10(13(9)15)12-5-3-8(14)4-6-12/h7-8,14H,3-6H2,1-2H3
InChIKeyJMJPDBOTPCIVEP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.38
Rot. Bonds1

About 1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol

1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol (PubChem CID 163682990) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol
PubChem CID163682990
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol
SMILESCC(C)C1=NC(N2CCC(O)CC2)=[N+]1[O-]
InChIInChI=1S/C10H17N3O2/c1-7(2)9-11-10(13(9)15)12-5-3-8(14)4-6-12/h7-8,14H,3-6H2,1-2H3
InChIKeyJMJPDBOTPCIVEP-UHFFFAOYSA-N
XLogP0.38
TPSA61.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide
CID 163764373
[N-(4-hydroxypiperidine-1-carboximidoyl)-C-propan-2-ylcarbonimidoyl]oxidanium
CID 164061209
N'-[(4-hydroxypiperidin-1-yl)methoxy]-2-methyl-N-methylidenepropanimidamide
CID 144429834

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol?
The IUPAC name of 1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol (CID 163682990) is 1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol is CC(C)C1=NC(N2CCC(O)CC2)=[N+]1[O-].
What is the InChIKey of 1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol?
The InChIKey is JMJPDBOTPCIVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)9-11-10(13(9)15)12-5-3-8(14)4-6-12/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol?
1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol has a molecular weight of 211.26 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol is sourced from PubChem (CID 163682990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).